UCSF

ZINC46833382

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 5.4 -54.44 2 4 1 46 310.727 7
Mid Mid (pH 6-8) 2.09 3.22 -11.87 1 4 0 45 309.719 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )